24515

Source:http://linkedlifedata.com/resource/chembl/compound/24515

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C17H13N3O/c1-3-8-14-12(6-1)16(20-17-18-10-5-11-19-17)13-7-2-4-9-15(13)21-14/h1-11,16H,(H,18,19,20)
chemicalCompound:standardIn...	ISCJHXBADNNDET-UHFFFAOYSA-N
chemicalCompound:canonicalS...	N(C1c2ccccc2Oc3ccccc13)c4ncccn4
chemicalCompound:molecularF...	C17 H13 N3 O
chemicalCompound:moleculeId	24515
chemicalCompound:mwFreebase	275.305
chemicalCompound:alogp	2.834
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	47.04
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.104
chemicalCompound:acdLogD	3.104
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	275.305
chemicalCompound:acdMostBpk...	3.188
chemicalCompound:chemblId	CHEMBL281823
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:124515
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:580024, activity:580025